#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fkw n GLN 3 N 0.00 3.06 0.00 -3.83 1.13 -1.26 -4.70 117.38 111.77 2fkw n GLN 3 Ca 0.00 -3.07 0.09 0.00 -1.94 0.00 0.00 57.00 52.08 2fkw n GLN 3 Cb 0.00 -2.16 0.39 0.00 0.11 0.00 0.00 30.24 28.59 2fkw n GLN 3 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2fkw n GLY 4 N -0.58 -1.14 0.82 1.08 0.00 -1.26 -1.45 105.19 102.67 2fkw n GLY 4 Ca 0.46 -0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.51 2fkw n GLY 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fkw n LYS 5 N -1.50 2.05 -0.03 1.61 5.02 -1.26 -4.34 118.16 119.71 2fkw n LYS 5 Ca 0.04 -1.61 0.13 0.00 -2.02 0.00 0.00 58.31 54.85 2fkw n LYS 5 Cb 0.22 -1.40 0.55 0.00 -0.02 0.00 0.00 35.03 34.37 2fkw n LYS 5 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2fkw h ILE 6 N 2.88 0.88 -0.10 -0.18 6.09 -1.64 -0.87 117.51 124.58 2fkw h ILE 6 Ca 0.00 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.39 2fkw h ILE 6 Cb 0.65 0.56 0.00 0.00 0.47 0.00 0.00 36.82 38.50 2fkw h ILE 6 CO 0.00 0.05 0.00 0.79 -3.07 0.00 0.00 178.15 175.92 2fkw n TRP 7 N -4.46 0.12 0.17 2.19 7.02 -1.26 -0.64 117.44 120.59 2fkw n TRP 7 Ca 0.08 -0.06 0.08 0.00 -1.02 0.00 0.00 57.50 56.58 2fkw n TRP 7 Cb 0.38 0.00 0.09 0.00 -2.42 0.00 0.00 31.31 29.36 2fkw n TRP 7 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 2fkw h THR 8 N 1.14 0.33 0.00 -0.99 1.35 -1.47 -3.40 112.91 109.88 2fkw h THR 8 Ca 0.00 -1.48 -0.19 0.00 -0.55 0.00 0.00 66.41 64.19 2fkw h THR 8 Cb 0.25 2.10 -0.03 0.00 -1.73 0.00 0.00 68.15 68.74 2fkw h THR 8 CO 0.00 0.19 -1.72 1.33 -0.25 0.00 0.00 175.52 175.07 2fkw n VAL 9 N -3.09 0.72 -3.48 6.82 0.24 -0.90 -4.97 118.33 113.66 2fkw n VAL 9 Ca 0.02 -0.27 -0.37 0.00 -2.04 0.00 0.00 64.34 61.68 2fkw n VAL 9 Cb 0.62 -1.01 -0.06 0.00 -1.47 0.00 0.00 33.84 31.91 2fkw n VAL 9 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2fkw s VAL 10 N -2.25 5.23 -0.41 3.34 1.01 0.19 -5.04 120.40 122.47 2fkw s VAL 10 Ca -0.17 0.71 -0.29 0.00 0.00 0.00 0.00 61.98 62.23 2fkw s VAL 10 Cb 0.05 -3.69 0.01 0.00 0.00 0.00 0.00 36.38 32.75 2fkw s VAL 10 CO 0.28 0.41 1.35 0.21 0.00 0.00 0.00 175.10 177.36 2fkw s ASN 11 N 0.19 6.43 0.60 3.32 3.84 -1.26 -4.30 114.94 123.76 2fkw s ASN 11 Ca 0.20 0.81 0.35 0.00 0.21 0.00 0.00 52.86 54.44 2fkw s ASN 11 Cb -0.14 -2.54 1.94 0.00 -0.55 0.00 0.00 41.25 39.95 2fkw s ASN 11 CO 0.07 -1.36 2.24 1.55 -2.79 0.00 0.00 177.10 176.82 2fkw h PRO 12 N 10.27 0.00 0.00 0.43 0.13 -1.95 0.43 132.00 141.32 2fkw h PRO 12 Ca -0.27 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.86 2fkw h PRO 12 Cb 1.10 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 2fkw h PRO 12 CO 1.09 0.03 -0.04 0.00 -0.23 0.00 0.00 178.00 178.85 2fkw h ALA 13 N 1.97 1.51 0.00 -0.56 0.00 -2.00 -1.47 119.26 118.72 2fkw h ALA 13 Ca -0.00 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.47 2fkw h ALA 13 Cb 0.11 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 17.83 2fkw h ALA 13 CO 0.00 0.05 -2.50 -0.89 0.00 0.00 0.00 179.25 175.91 2fkw n ILE 14 N -3.87 1.50 -0.15 0.00 2.08 0.12 -4.60 119.36 114.44 2fkw n ILE 14 Ca -0.03 -0.53 -0.11 0.00 0.56 0.00 0.00 62.75 62.64 2fkw n ILE 14 Cb 0.13 -1.52 -0.01 0.00 -0.75 0.00 0.00 39.64 37.48 2fkw n ILE 14 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 2fkw h GLY 15 N 1.31 0.92 0.81 7.39 0.00 -0.64 -1.20 103.07 111.66 2fkw h GLY 15 Ca -0.61 -0.77 -0.06 0.00 0.00 0.00 0.00 47.33 45.89 2fkw h GLY 15 CO -0.17 0.71 -0.10 -2.22 0.00 0.00 0.00 176.54 174.76 2fkw h ILE 16 N 0.68 1.31 -0.50 2.60 2.04 -1.51 0.60 117.51 122.74 2fkw h ILE 16 Ca 0.11 -1.17 -0.04 0.00 1.00 0.00 0.00 64.86 64.76 2fkw h ILE 16 Cb 0.66 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2fkw h ILE 16 CO 0.05 0.35 0.13 -0.65 0.00 0.00 0.00 178.15 178.03 2fkw h PRO 17 N 0.12 0.75 -0.62 2.37 0.11 -1.75 -1.08 132.00 131.91 2fkw h PRO 17 Ca 0.04 -0.14 -0.05 0.00 0.11 0.00 0.00 66.00 65.96 2fkw h PRO 17 Cb 0.59 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 2fkw h PRO 17 CO 0.03 0.68 0.17 0.00 -0.21 0.00 0.00 178.00 178.67 2fkw h ALA 18 N 1.41 1.14 0.04 -0.75 0.00 -0.99 0.21 119.26 120.32 2fkw h ALA 18 Ca 0.16 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 2fkw h ALA 18 Cb 0.26 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2fkw h ALA 18 CO -0.00 0.59 -0.02 1.25 0.00 0.00 0.00 179.25 181.06 2fkw h LEU 19 N 0.92 -0.05 -0.89 0.00 5.85 -0.43 -0.81 115.31 119.89 2fkw h LEU 19 Ca 0.20 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.59 2fkw h LEU 19 Cb 0.30 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2fkw h LEU 19 CO -0.00 0.24 0.13 -0.07 -0.34 0.00 0.00 178.44 178.40 2fkw h LEU 20 N -0.34 0.90 -0.30 2.25 3.38 -1.01 -0.94 115.31 119.24 2fkw h LEU 20 Ca -0.01 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.70 2fkw h LEU 20 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2fkw h LEU 20 CO 0.01 0.88 -0.15 1.23 0.09 0.00 0.00 178.44 180.50 2fkw h GLY 21 N 1.02 0.69 0.98 0.83 0.00 -0.94 -2.21 103.07 103.44 2fkw h GLY 21 Ca 0.19 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 46.87 2fkw h GLY 21 CO 0.00 0.57 0.21 1.76 0.00 0.00 0.00 176.54 179.08 2fkw h SER 22 N 0.39 0.76 -0.26 0.19 0.02 -0.87 -0.09 113.55 113.69 2fkw h SER 22 Ca 0.07 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2fkw h SER 22 Cb 0.67 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.00 2fkw h SER 22 CO 0.04 0.73 0.17 0.58 -1.14 0.00 0.00 176.83 177.21 2fkw h VAL 23 N 0.75 1.07 -0.84 2.27 2.07 -1.15 -0.57 116.25 119.85 2fkw h VAL 23 Ca 0.18 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2fkw h VAL 23 Cb 0.21 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 2fkw h VAL 23 CO -0.01 0.07 0.56 0.74 0.02 0.00 0.00 177.57 178.94 2fkw h THR 24 N 0.35 1.20 -0.66 2.57 2.02 -1.13 -1.32 112.91 115.94 2fkw h THR 24 Ca 0.10 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.87 2fkw h THR 24 Cb -0.03 -0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.33 2fkw h THR 24 CO -0.02 0.21 0.35 0.58 0.37 0.00 0.00 175.52 177.00 2fkw h VAL 25 N 1.13 1.21 -0.18 3.16 2.07 -0.48 -1.31 116.25 121.85 2fkw h VAL 25 Ca 0.31 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.28 2fkw h VAL 25 Cb -0.11 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.03 2fkw h VAL 25 CO -0.08 0.24 0.09 0.40 0.02 0.00 0.00 177.57 178.24 2fkw h ILE 26 N 0.90 1.13 -0.62 4.57 2.04 -0.68 -0.06 117.51 124.78 2fkw h ILE 26 Ca 0.23 -0.38 0.10 0.00 1.00 0.00 0.00 64.86 65.81 2fkw h ILE 26 Cb 0.06 1.05 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 2fkw h ILE 26 CO -0.03 0.13 0.21 0.00 0.00 0.00 0.00 178.15 178.45 2fkw h ALA 27 N 0.95 0.80 -0.62 1.87 0.00 -1.00 0.29 119.26 121.54 2fkw h ALA 27 Ca 0.06 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2fkw h ALA 27 Cb 0.12 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2fkw h ALA 27 CO -0.01 -0.22 0.41 0.82 0.00 0.00 0.00 179.25 180.25 2fkw h ILE 28 N 0.38 1.16 -0.54 0.00 2.04 -0.75 -1.47 117.51 118.32 2fkw h ILE 28 Ca 0.32 -0.29 -0.08 0.00 1.00 0.00 0.00 64.86 65.81 2fkw h ILE 28 Cb 0.43 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.73 2fkw h ILE 28 CO -0.34 0.15 0.01 -0.07 0.00 0.00 0.00 178.15 177.90 2fkw h LEU 29 N 0.84 0.92 -0.22 1.44 3.38 -0.23 -0.37 115.31 121.07 2fkw h LEU 29 Ca 0.23 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 2fkw h LEU 29 Cb -0.09 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.40 2fkw h LEU 29 CO -0.05 1.00 0.08 0.58 0.09 0.00 0.00 178.44 180.14 2fkw h VAL 30 N 0.82 1.17 -0.36 1.22 2.07 -0.85 -0.32 116.25 120.01 2fkw h VAL 30 Ca 0.15 -0.52 0.06 0.00 0.82 0.00 0.00 66.70 67.21 2fkw h VAL 30 Cb 0.52 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.35 2fkw h VAL 30 CO 0.03 0.17 0.02 0.45 0.02 0.00 0.00 177.57 178.26 2fkw h HIS 31 N 0.20 0.02 -0.66 1.57 3.86 -1.05 -0.92 115.15 118.16 2fkw h HIS 31 Ca 0.07 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.25 2fkw h HIS 31 Cb 0.19 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.68 2fkw h HIS 31 CO -0.01 -0.05 0.20 -0.07 0.86 0.00 0.00 177.93 178.87 2fkw h LEU 32 N 0.12 0.97 -0.25 2.43 3.38 -0.87 -0.01 115.31 121.09 2fkw h LEU 32 Ca 0.17 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2fkw h LEU 32 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2fkw h LEU 32 CO -0.27 0.93 0.12 0.00 0.09 0.00 0.00 178.44 179.31 2fkw h ALA 33 N 1.08 0.32 -0.71 1.53 0.00 -0.71 -1.34 119.26 119.44 2fkw h ALA 33 Ca 0.21 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 2fkw h ALA 33 Cb 0.31 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 2fkw h ALA 33 CO -0.01 -0.12 0.34 0.82 0.00 0.00 0.00 179.25 180.28 2fkw h ILE 34 N 0.28 1.23 -0.76 0.00 2.04 -0.93 -1.83 117.51 117.53 2fkw h ILE 34 Ca 0.09 -0.64 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2fkw h ILE 34 Cb 0.11 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.46 2fkw h ILE 34 CO -0.01 0.27 0.48 0.25 0.00 0.00 0.00 178.15 179.13 2fkw h LEU 35 N 1.01 0.77 -0.86 1.44 5.85 -0.63 -2.07 115.31 120.82 2fkw h LEU 35 Ca 0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2fkw h LEU 35 Cb 0.10 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2fkw h LEU 35 CO -0.03 0.53 -0.13 -1.54 -0.34 0.00 0.00 178.44 176.92 2fkw n SER 36 N -4.64 1.47 -0.04 1.25 3.41 -0.54 -4.06 113.62 110.48 2fkw n SER 36 Ca 0.09 -1.30 0.02 0.00 -0.26 0.00 0.00 58.87 57.42 2fkw n SER 36 Cb 0.11 0.08 0.03 0.00 -0.26 0.00 0.00 64.21 64.17 2fkw n SER 36 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2fkw n HIS 37 N -0.06 0.00 -4.32 7.33 8.25 -0.75 -5.01 115.22 120.66 2fkw n HIS 37 Ca 0.15 -0.49 -0.17 0.00 -0.26 0.00 0.00 57.72 56.95 2fkw n HIS 37 Cb 0.38 -0.06 -0.10 0.00 1.12 0.00 0.00 29.99 31.33 2fkw n HIS 37 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 2fkw s THR 38 N -1.15 1.53 -0.10 1.59 -4.23 -0.80 -5.02 115.64 107.46 2fkw s THR 38 Ca 0.06 -2.15 0.15 0.00 -1.18 0.00 0.00 61.69 58.57 2fkw s THR 38 Cb 0.05 -2.01 -0.16 0.00 1.34 0.00 0.00 72.50 71.73 2fkw s THR 38 CO 0.01 -0.62 0.80 0.71 -0.54 0.00 0.00 174.62 174.97 2fkw h THR 39 N 2.62 0.61 0.02 3.99 1.35 -1.89 -3.41 112.91 116.20 2fkw h THR 39 Ca -0.38 -2.20 -0.22 0.00 -0.55 0.00 0.00 66.41 63.06 2fkw h THR 39 Cb 1.21 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.76 2fkw h THR 39 CO 0.63 0.35 -1.03 4.11 -0.25 0.00 0.00 175.52 179.32 2fkw h TRP 40 N 0.00 0.08 0.25 4.73 5.08 -1.94 -2.04 115.95 122.11 2fkw h TRP 40 Ca -0.19 -0.06 -0.01 0.00 1.08 0.00 0.00 58.89 59.71 2fkw h TRP 40 Cb 1.70 -0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.86 2fkw h TRP 40 CO 0.00 1.04 -0.12 0.35 -1.28 0.00 0.00 178.44 178.43 2fkw h PHE 41 N 0.01 -0.31 -0.77 0.12 3.04 -1.87 -1.36 116.94 115.80 2fkw h PHE 41 Ca -0.03 -0.01 0.05 0.00 3.98 0.00 0.00 57.97 61.96 2fkw h PHE 41 Cb 1.79 0.10 -0.05 0.00 2.56 0.00 0.00 35.95 40.36 2fkw h PHE 41 CO 0.01 -0.05 0.51 -1.35 -2.02 0.00 0.00 178.31 175.41 2fkw h PRO 42 N -0.54 0.87 -0.43 6.41 0.11 -1.80 -2.14 132.00 134.49 2fkw h PRO 42 Ca -0.03 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 2fkw h PRO 42 Cb 0.40 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 2fkw h PRO 42 CO 0.06 0.58 0.08 0.00 -0.21 0.00 0.00 178.00 178.51 2fkw h ALA 43 N 1.56 1.34 -0.27 -0.75 0.00 -1.25 0.39 119.26 120.28 2fkw h ALA 43 Ca 0.32 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2fkw h ALA 43 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2fkw h ALA 43 CO -0.10 0.46 0.17 -0.92 0.00 0.00 0.00 179.25 178.86 2fkw h TYR 44 N 0.63 0.36 -0.19 0.00 3.20 -0.56 -1.89 116.97 118.52 2fkw h TYR 44 Ca 0.14 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.88 2fkw h TYR 44 Cb 0.27 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 2fkw h TYR 44 CO 0.01 0.26 -0.45 -1.49 -1.64 0.00 0.00 178.16 174.86 2fkw h TRP 45 N 0.35 0.55 -0.82 -3.82 6.55 -1.28 -3.11 115.95 114.37 2fkw h TRP 45 Ca 0.10 -0.17 0.01 0.00 0.95 0.00 0.00 58.89 59.78 2fkw h TRP 45 Cb 0.01 -0.12 -0.04 0.00 -0.86 0.00 0.00 29.16 28.15 2fkw h TRP 45 CO -0.05 0.83 0.54 0.37 -1.05 0.00 0.00 178.44 179.08 2fkw h GLN 46 N 0.37 1.08 0.00 0.49 5.75 0.01 -3.48 115.11 119.33 2fkw h GLN 46 Ca 0.03 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.46 2fkw h GLN 46 Cb 0.93 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 29.24 2fkw h GLN 46 CO 0.08 0.72 0.00 0.41 -2.65 0.00 0.00 178.83 177.39 2fkw n GLY 47 N -1.40 1.01 3.82 2.39 0.00 -0.73 -4.93 105.19 105.36 2fkw n GLY 47 Ca 0.09 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.44 2fkw n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fkw n GLY 48 N 0.00 2.99 3.48 -0.02 0.00 -1.26 -4.97 105.19 105.41 2fkw n GLY 48 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2fkw n GLY 48 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fkw s VAL 49 N -1.35 4.75 -0.03 1.61 1.01 -1.26 -4.87 120.40 120.25 2fkw s VAL 49 Ca 0.00 -2.04 -0.19 0.00 0.00 0.00 0.00 61.98 59.75 2fkw s VAL 49 Cb 0.00 -4.90 -0.12 0.00 0.00 0.00 0.00 36.38 31.36 2fkw s VAL 49 CO 0.00 -1.64 0.80 0.07 0.00 0.00 0.00 175.10 174.33 2fkw h LYS 50 N 8.00 -0.41 -3.29 2.72 5.09 -2.05 -3.49 116.57 123.14 2fkw h LYS 50 Ca 0.26 0.03 -0.00 0.00 0.09 0.00 0.00 60.65 61.03 2fkw h LYS 50 Cb 0.94 0.09 -0.08 0.00 0.10 0.00 0.00 32.23 33.28 2fkw h LYS 50 CO 1.23 -0.12 0.06 0.15 -2.09 0.00 0.00 179.45 178.67 2fkw s LYS 51 N -3.56 1.54 0.41 0.07 1.02 -1.26 -5.18 119.74 112.78 2fkw s LYS 51 Ca -0.11 -0.99 0.08 0.00 0.02 0.00 0.00 55.97 54.97 2fkw s LYS 51 Cb 0.01 0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 37.82 2fkw s LYS 51 CO 0.37 -0.67 0.30 0.00 -0.92 0.00 0.00 175.35 174.42 2fkw s ALA 52 N -3.92 3.87 0.00 5.17 0.00 -1.26 -5.27 121.76 120.34 2fkw s ALA 52 Ca 0.13 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 50.13 2fkw s ALA 52 Cb -0.02 -0.79 0.00 0.00 0.00 0.00 0.00 23.12 22.30 2fkw s ALA 52 CO 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 175.76 175.60